calcium;bis(dysprosium(3+));octakis(quinolin-8-olate)

C72H48CaDy2N8O8 — CID 139170864

IUPACcalcium;bis(dysprosium(3+));octakis(quinolin-8-olate)
SMILES[Ca+2].[Dy+3].[Dy+3].[O-]c1cccc2cccnc12.[O-]c1cccc2cccnc12.[O-]c1cccc2cccnc12.[O-]c1cccc2cccnc12.[O-]c1cccc2cccnc12.[O-]c1cccc2cccnc12.[O-]c1cccc2cccnc12.[O-]c1cccc2cccnc12
InChIInChI=1S/8C9H7NO.Ca.2Dy/c8*11-8-5-1-3-7-4-2-6-10-9(7)8;;;/h8*1-6,11H;;;/q;;;;;;;;+2;2*+3/p-8
InChIKeyYOISVMLUSGLQMT-UHFFFAOYSA-F
MW1518.30 g/mol
LogP10.09
Rot. Bonds

About calcium;bis(dysprosium(3+));octakis(quinolin-8-olate)

calcium;bis(dysprosium(3+));octakis(quinolin-8-olate) (PubChem CID 139170864) has the molecular formula C72H48CaDy2N8O8 and a molecular weight of 1518.30 g/mol. Its IUPAC name is calcium;bis(dysprosium(3+));octakis(quinolin-8-olate).

Molecular Properties

Compound Namecalcium;bis(dysprosium(3+));octakis(quinolin-8-olate)
PubChem CID139170864
Molecular FormulaC72H48CaDy2N8O8
Molecular Weight1518.30 g/mol
Exact Mass1520.18
IUPAC Namecalcium;bis(dysprosium(3+));octakis(quinolin-8-olate)
SMILES[Ca+2].[Dy+3].[Dy+3].[O-]c1cccc2cccnc12.[O-]c1cccc2cccnc12.[O-]c1cccc2cccnc12.[O-]c1cccc2cccnc12.[O-]c1cccc2cccnc12.[O-]c1cccc2cccnc12.[O-]c1cccc2cccnc12.[O-]c1cccc2cccnc12
InChIInChI=1S/8C9H7NO.Ca.2Dy/c8*11-8-5-1-3-7-4-2-6-10-9(7)8;;;/h8*1-6,11H;;;/q;;;;;;;;+2;2*+3/p-8
InChIKeyYOISVMLUSGLQMT-UHFFFAOYSA-F
XLogP10.09
TPSA287.60 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds
Heavy Atoms91
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001518.30
LogP ≤ 510.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

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Related Compounds

tri(quinolin-8-yloxy)(111In)indigane
CID 16682728
Tetrakis(quinolin-8-olate);zirconium(4+)
CID 139195714
CID 16684839
CID 16684839
Tricopper;hexakis(5,7-dimethylquinolin-8-olate)
CID 139040557
Methoxyoxobis(quinolin-8-olato-kappa^2^N,O)vanadium(V)
CID 139071859
Bis(acetato-kappaO)bis(mu~3~-quinolin-8-olato-kappa^4^N,O:O:O)tetrakis(mu~2~-quinolin-8-olato-kappa^3^N,O:O)tetrazinc(II) dihydrate
CID 139076884
Tetrakis(quinolin-8-olato-kappa^2^N,O)hafnium(IV) toluene disolvate
CID 139077805
Tetrakis(8-quinolinolato-kappa^2^N,O)hafnium(IV) dimethylformamide solvate monohydrate
CID 139078843
cyclo-Tetrakis{mu-N'-[(8-oxidoquinolin-7-yl)methylidene]isonicotinohydrazidato}tetrazinc tetrahydrate
CID 139083911
1,1-bis[kappa-O,N-(8-oxyquinolinato)]silacyclohexane
CID 139102092
Dizinc;bis(2-[[bis(pyridin-2-ylmethyl)amino]methyl]quinolin-8-olate);diperchlorate
CID 139127859
Tetrakis(manganese(2+));hexakis(2-(pyridin-2-ylmethylideneamino)phenolate);diperchlorate
CID 139129268

Frequently Asked Questions

What is the IUPAC name of calcium;bis(dysprosium(3+));octakis(quinolin-8-olate)?
The IUPAC name of calcium;bis(dysprosium(3+));octakis(quinolin-8-olate) (CID 139170864) is calcium;bis(dysprosium(3+));octakis(quinolin-8-olate).
What is the SMILES notation for calcium;bis(dysprosium(3+));octakis(quinolin-8-olate)?
The canonical SMILES for calcium;bis(dysprosium(3+));octakis(quinolin-8-olate) is [Ca+2].[Dy+3].[Dy+3].[O-]c1cccc2cccnc12.[O-]c1cccc2cccnc12.[O-]c1cccc2cccnc12.[O-]c1cccc2cccnc12.[O-]c1cccc2cccnc12.[O-]c1cccc2cccnc12.[O-]c1cccc2cccnc12.[O-]c1cccc2cccnc12.
What is the InChIKey of calcium;bis(dysprosium(3+));octakis(quinolin-8-olate)?
The InChIKey is YOISVMLUSGLQMT-UHFFFAOYSA-F. The full InChI is InChI=1S/8C9H7NO.Ca.2Dy/c8*11-8-5-1-3-7-4-2-6-10-9(7)8;;;/h8*1-6,11H;;;/q;;;;;;;;+2;2*+3/p-8.
What are the key properties of calcium;bis(dysprosium(3+));octakis(quinolin-8-olate)?
calcium;bis(dysprosium(3+));octakis(quinolin-8-olate) has a molecular weight of 1518.30 g/mol, XLogP of 10.09, 0 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;bis(dysprosium(3+));octakis(quinolin-8-olate) is sourced from PubChem (CID 139170864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).